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Bicalutamide

CAT: 1299-RM-B031200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B031200-01Size:10 mg
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CAS Number
90357-06-5
Synonyms
(2R) -N-[4-cyano-3- (trifluoromethyl) phenyl]-3- (4-fluorophenyl) sulfonyl-2-hydroxy-2-methylpropanamidenone
Molecular Formula
C18H14F4N2O4S
Molecular Weight
430.37
Target Alternative Name
Bicalutamide
Product Name Synonym
(2R) -N-[4-cyano-3- (trifluoromethyl) phenyl]-3- (4-fluorophenyl) sulfonyl-2-hydroxy-2-methylpropanamidenone

Chemical Information

Bicalutamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide is a member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. It is a nitrile, a tertiary alcohol, a monocarboxylic acid amide, a sulfone, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number90357-06-5
PubChem CID2375
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
Molecular FormulaC18H14F4N2O4S
Molecular Weight430.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity750
SMILES
CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey
LKJPYSCBVHEWIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bicalutamide
CAS: 90357-06-5
CID: 2375
Formula: C18H14F4N2O4S
MW: 430.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass430.06104075
Monoisotopic Mass430.06104075
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14249-01Bicalutamide

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